CS-0565207
4′,4′′′,4′′′′′,4′′′′′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis-[1,1′-Biphenyl]-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1217356-12-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇₂H₄₆N₄O₈
Molecular Weight
1095.16
Synonyms
None
SMILES
O=C(C1=CC=CC(C2=CC=C(/C3=C4N=C(/C(C5=CC=C(C6=CC(C(O)=O)=CC=C6)C=C5)=C7C=C/C(N/7)=C(C8=CC=C(C9=CC(C(O)=O)=CC=C9)C=C8)/C%10=N/C(C=C%10)=C(C%11=CC=C3N%11)/C%12=CC=C(C%13=CC(C(O)=O)=CC=C%13)C=C%12)C=C/4)C=C2)=C1)O
Tpsa
206.56
Logp
16.9988
H Acceptors
6
H Donors
6
Rotatable Bonds
12
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₂H₄₆N₄O₈
Molecular Weight: 1095.16
Synonyms: None
SMILES: O=C(C1=CC=CC(C2=CC=C(/C3=C4N=C(/C(C5=CC=C(C6=CC(C(O)=O)=CC=C6)C=C5)=C7C=C/C(N/7)=C(C8=CC=C(C9=CC(C(O)=O)=CC=C9)C=C8)/C%10=N/C(C=C%10)=C(C%11=CC=C3N%11)/C%12=CC=C(C%13=CC(C(O)=O)=CC=C%13)C=C%12)C=C/4)C=C2)=C1)O
Tpsa: 206.56
Logp: 16.9988
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₂H₄₆N₄O₈
Molecular Weight:
1095.16
Synonyms:
None
SMILES:
O=C(C1=CC=CC(C2=CC=C(/C3=C4N=C(/C(C5=CC=C(C6=CC(C(O)=O)=CC=C6)C=C5)=C7C=C/C(N/7)=C(C8=CC=C(C9=CC(C(O)=O)=CC=C9)C=C8)/C%10=N/C(C=C%10)=C(C%11=CC=C3N%11)/C%12=CC=C(C%13=CC(C(O)=O)=CC=C%13)C=C%12)C=C/4)C=C2)=C1)O
Tpsa:
206.56
Logp:
16.9988
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₃NO₈
Molecular Weight: 407.33
Synonyms: None
SMILES: O=C(C1=CC(C2=CC=CC(C3=CC(C(O)=O)=CC(C(O)=O)=C3)=N2)=CC(C(O)=O)=C1)O
Tpsa: 162.09
Logp: 3.2084
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₃NO₈
Molecular Weight:
407.33
Synonyms:
None
SMILES:
O=C(C1=CC(C2=CC=CC(C3=CC(C(O)=O)=CC(C(O)=O)=C3)=N2)=CC(C(O)=O)=C1)O
Tpsa:
162.09
Logp:
3.2084
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₈O₆
Molecular Weight: 296.23
Synonyms: 9,10-dioxo-9,10-dihydro-1,4-anthracenedicarboxylic acid
SMILES: OC(C(C=C1)=C(C(C2=CC=CC=C32)=O)C(C3=O)=C1C(O)=O)=O
Tpsa: 108.74
Logp: 1.8584
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₈O₆
Molecular Weight:
296.23
Synonyms:
9,10-dioxo-9,10-dihydro-1,4-anthracenedicarboxylic acid
SMILES:
OC(C(C=C1)=C(C(C2=CC=CC=C32)=O)C(C3=O)=C1C(O)=O)=O
Tpsa:
108.74
Logp:
1.8584
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₃₂O₈
Molecular Weight: 616.66
Synonyms: Benzoic acid, 4,4',4'',4'''-tricyclo[3.3.1.13,7]decane-1,3,5,7-tetrayltetrakis- (9CI)
SMILES: O=C(C1=CC=C(C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C(O)=O)C=C5)C6=CC=C(C(O)=O)C=C6)C7=CC=C(C(O)=O)C=C7)C=C1)O
Tpsa: 149.2
Logp: 6.9126
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₃₂O₈
Molecular Weight:
616.66
Synonyms:
Benzoic acid, 4,4',4'',4'''-tricyclo[3.3.1.13,7]decane-1,3,5,7-tetrayltetrakis- (9CI)
SMILES:
O=C(C1=CC=C(C23CC4(CC(C2)(CC(C3)(C4)C5=CC=C(C(O)=O)C=C5)C6=CC=C(C(O)=O)C=C6)C7=CC=C(C(O)=O)C=C7)C=C1)O
Tpsa:
149.2
Logp:
6.9126
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
8